OPEP Files Generator

This automatic tool will allow you to generate the OPEP files of your system required to use the ART, MD or REMD softwares based on the OPEP potential. Four files will be created for a system 'pepxx' : pepxx.top, pepxx.list, pepxx.pdb, ichain.dat, all of which will be tared and compressed in a file pepxx.tgz. A link to this last file will be sent to your email address

A beta version of the generator for peptides containing disulfide bonds is now available here

Use OPEP potential v3 :

Compatible up to simulateur v1.95

v4 :

Compatible with simulateur v2.0+

From a properlyformated .pdb file :

Use position from .pdb file as template

In the .pdb file, peptides must be separated by a "TER" line. If more then one MODELis present, the first one will be used.

From a .txt filecontaining the sequence :

In the .txt file, peptides use the 3-letters amino acid representation and can span multiple lines. Each peptide must be separated bya "TER" line in the .txt . Non zwitterion peptides must start with the "ACE" code (for -COCH3) and end with either"NHE" (-NH2) or "NME" (-NHCH3)